Eur. Phys. J. Appl. Phys.
Volume 75, Number 1, July 2016
|Number of page(s)||5|
|Section||Imaging, Microscopy and Spectroscopy|
|Published online||26 July 2016|
Explanations of the g factors for the tetragonal (MoO4)3− clusters in γ-irradiated (MoO4)2−-doped KDP and ADP crystals through the dynamic effect
School of Chemistry & Chemical Engineering, Mianyang Normal University, Mianyang 621000, P.R. China
2 School of Physics & Electronic Engineering, Mianyang Normal University, Mianyang 621000, P.R. China
3 Research Center of Computational Physics, Mianyang Normal University, Mianyang 621000, P.R. China
4 Department of Material Science, Sichuan University, Chengdu 610064, P.R. China
a e-mail: firstname.lastname@example.org
Revised: 9 June 2016
Accepted: 5 July 2016
Published online: 26 July 2016
The electron paramagnetic resonance (EPR) g factors g// and g┴ for the tetragonally-compressed (MoO4)3− clusters in the γ-irradiated (MoO4)2−-doped KH2PO4 (KDP) and NH4H2PO4 (ADP) crystals are computed from the high-order perturbation formulas based on the two (crystal-field and charge transfer)-mechanism model for the compressed d1 tetragonal tetrahedra with the ground state |dz2⟩. From the calculated values and by taking account of the mixing of the first-excited state |dx2−y2⟩ to the ground state |dz2⟩ caused by the dynamic effect due to the vibration of ligands (which can result in a twinkling change of tetrahedron from compression to elongation), the computed g// and g┴ for the two crystals are in good accordance with the experimental values. The large deviations of the observed g// from ge (≈2.0023, the g factor of free electron) in both crystals are therefore explained. The results are discussed.
© EDP Sciences, 2016
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